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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM314665'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM314665
PNG
(US9611262, Example 197 | [(1R,3R,4S,6R)-3-[(5-chlo...)
Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14|
Show InChI InChI=1S/C21H19ClFN5O2/c1-12-13-9-17(18(10-13)30-19-6-5-14(22)11-24-19)27(12)21(29)15-3-2-4-16(23)20(15)28-25-7-8-26-28/h2-8,11-13,17-18H,9-10H2,1H3
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US Patent
3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))
BDBM314665
PNG
(US9611262, Example 197 | [(1R,3R,4S,6R)-3-[(5-chlo...)
Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14|
Show InChI InChI=1S/C21H19ClFN5O2/c1-12-13-9-17(18(10-13)30-19-6-5-14(22)11-24-19)27(12)21(29)15-3-2-4-16(23)20(15)28-25-7-8-26-28/h2-8,11-13,17-18H,9-10H2,1H3
PDB

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UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair